Benzyl bromide-α-13C

CAT: 0024-sc-257145Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-257145Size:500 mg

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CAS Number

69838-86-4

Chemical Information

Bromo(113C)methylbenzene

CAS Number	69838-86-4
PubChem CID	12217702
IUPAC Name	bromo(113C)methylbenzene
Molecular Formula	C7H7Br
Molecular Weight	172.03
XLogP	2.9
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	55

SMILES

C1=CC=C(C=C1)[13CH2]Br

InChI

InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2/i6+1

InChIKey

AGEZXYOZHKGVCM-PTQBSOBMSA-N

Chemical Structure

2D Structure

CAS: 69838-86-4

CID: 12217702

Formula: C7H7Br

MW: 172.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.03
XLogP3	2.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
Exact Mass	170.97647
Monoisotopic Mass	170.97647
Topological Polar Surface Area	0 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	55.4
Isotope Atom Count	1
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-239315	Benzyl bromide
sc-257142	Benzyl alcohol-α-13C
sc-257064	Acetyl-1-13C bromide
sc-257147B	Benzyl bromide-d7
sc-257147A	Benzyl bromide-d7
sc-257146	Benzyl bromide-α, α-d2
sc-503440	Benzyl-d5 Bromide
sc-257143	Benzyl alcohol-α-13C-α, α-d2
sc-216726	[4- (Trimethylammonium) benzyl] Bromide
sc-225903	3- (Trifluoromethoxy) benzyl bromide

Catalog	Name
OR12905-01	Benzyl bromide
HY-B0892S5	Benzyl alcohol-13C
TRC-B233073-100MG	Benzyl Chloroformate-13C
442557-01	Benzyl-d7 Bromide
LLA01310-01	Benzyl bromide-13C6
B233656	Benzyl-α,α-d2 Bromide
HY-132028-01	Benzyl-PEG6-bromide
162818	Benzyl-d5 Bromide
OR15010	Benzyl trimethylammonium bromide
GTR19260889-01	Benzyl-PEG7-bromide